2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine

C20H14N4OS — CID 141158603

IUPAC2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine
SMILESc1ccc(-n2nc(-c3ccc[nH]3)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C20H14N4OS/c1-2-10-22-17(9-1)24-20(15-7-4-12-25-15)18(16-8-5-13-26-16)19(23-24)14-6-3-11-21-14/h1-13,21H
InChIKeyMNBITTQGYKXRQM-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.25
Rot. Bonds4

About 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine

2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine (PubChem CID 141158603) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine
PubChem CID141158603
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine
SMILESc1ccc(-n2nc(-c3ccc[nH]3)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C20H14N4OS/c1-2-10-22-17(9-1)24-20(15-7-4-12-25-15)18(16-8-5-13-26-16)19(23-24)14-6-3-11-21-14/h1-13,21H
InChIKeyMNBITTQGYKXRQM-UHFFFAOYSA-N
XLogP5.25
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-Dimethylpyrazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66761102
N-(furan-2-ylmethyl)-3-methyl-1-pyridin-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 3435520
2-Thieno[2,3-c]pyridin-3-yl-4-(1,3,5-trimethylpyrazol-4-yl)furo[2,3-c]pyridin-7-amine
CID 66759463
4-(1,5-Dimethylpyrazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66761050
N-(3-fluoro-2-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062163
7-(1-Benzofuran-2-YL)-2-(thiophen-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 75465979
7-(Furan-2-YL)-2-(thiophen-2-YL)-[1,2,4]triazolo[1,5-A]pyrimidine
CID 66498252
4-(furan-2-yl)-5-thiophen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 127034649
5-(furan-2-yl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1164918
5-(furan-2-yl)-N-(thiophen-2-ylmethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1361377
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-3-ylpyrimidin-2-amine
CID 23020440
5-(2-Fluoro-4-pyridinyl)-4-(furan-2-yl)-6-thiophen-2-ylpyrimidin-2-amine
CID 23020465

Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine?
The IUPAC name of 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine (CID 141158603) is 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine is c1ccc(-n2nc(-c3ccc[nH]3)c(-c3cccs3)c2-c2ccco2)nc1.
What is the InChIKey of 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine?
The InChIKey is MNBITTQGYKXRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-2-10-22-17(9-1)24-20(15-7-4-12-25-15)18(16-8-5-13-26-16)19(23-24)14-6-3-11-21-14/h1-13,21H.
What are the key properties of 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine?
2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine has a molecular weight of 358.43 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-4-thiophen-2-ylpyrazol-1-yl]pyridine is sourced from PubChem (CID 141158603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).